8RV8

SARS-CoV-2 nsp16-nsp10 in complex with SAM derivative inhibitor 5

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	BESSY BEAMLINE 14.1
Synchrotron site	BESSY
Beamline	14.1
Temperature [K]	90
Detector technology	PIXEL
Collection date	2023-03-17
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.9184
Spacegroup name	P 31 2 1
Unit cell lengths	168.131, 168.131, 52.131
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	42.390 - 1.700
R-factor	0.1871
Rwork	0.187
R-free	0.19580
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.936
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.080	1.730
High resolution limit [Å]	1.700	1.700
Rmerge	0.094	2.739
Rmeas	0.097	2.891
Rpim	0.021	0.628
Number of reflections	92755	95651
<I/σ(I)>	21.2	1.3
Completeness [%]	100.0	100
Redundancy	20.5	21
CC(1/2)	1.000	0.509

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.6	293	0.1 M MES (pH 5.6), 11% PEG 3350, 0.24 M magnesium chloride